1-(oxolan-3-yl)piperidine-3-carboxylic acid

C10H17NO3 — CID 63557363

IUPAC1-(oxolan-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C2CCOC2)C1
InChIInChI=1S/C10H17NO3/c12-10(13)8-2-1-4-11(6-8)9-3-5-14-7-9/h8-9H,1-7H2,(H,12,13)
InChIKeyOSZQWPCVMXVPRJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.57
Rot. Bonds2

About 1-(oxolan-3-yl)piperidine-3-carboxylic acid

1-(oxolan-3-yl)piperidine-3-carboxylic acid (PubChem CID 63557363) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-yl)piperidine-3-carboxylic acid
PubChem CID63557363
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(oxolan-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C2CCOC2)C1
InChIInChI=1S/C10H17NO3/c12-10(13)8-2-1-4-11(6-8)9-3-5-14-7-9/h8-9H,1-7H2,(H,12,13)
InChIKeyOSZQWPCVMXVPRJ-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
1-(oxepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65080671
N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
CID 63333083
2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
4-chloro-1-(oxolan-3-yl)azepane
CID 130891419
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
(3S)-1-(oxolan-3-yl)pyrrolidin-3-ol
CID 115277616
(3R)-1-(oxan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120821
1-(1,1-dioxothiolan-3-yl)piperidine-3-carboxylic acid
CID 16637312
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(oxolan-3-yl)piperidine-3-carboxylic acid (CID 63557363) is 1-(oxolan-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-yl)piperidine-3-carboxylic acid?
The InChIKey is OSZQWPCVMXVPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(13)8-2-1-4-11(6-8)9-3-5-14-7-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-(oxolan-3-yl)piperidine-3-carboxylic acid?
1-(oxolan-3-yl)piperidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63557363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).